N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide

C20H31N3O3 — CID 131677276

IUPACN,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
SMILESCN(C)C(=O)COCCC1CCOC12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C20H31N3O3/c1-22(2)19(24)16-25-13-6-17-7-14-26-20(17)8-11-23(12-9-20)15-18-5-3-4-10-21-18/h3-5,10,17H,6-9,11-16H2,1-2H3
InChIKeyHDLUEJLPUOGXAV-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.95
Rot. Bonds7

About N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide

N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide (PubChem CID 131677276) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
PubChem CID131677276
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
SMILESCN(C)C(=O)COCCC1CCOC12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C20H31N3O3/c1-22(2)19(24)16-25-13-6-17-7-14-26-20(17)8-11-23(12-9-20)15-18-5-3-4-10-21-18/h3-5,10,17H,6-9,11-16H2,1-2H3
InChIKeyHDLUEJLPUOGXAV-UHFFFAOYSA-N
XLogP1.95
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131658499
N,N-dimethyl-2-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847565
4-methyl-1-[4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]pentan-1-one
CID 131692507
1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
2-[2-[(3R,3aR,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171696017
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
4-(2-ethoxyethyl)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 133141822
8-propan-2-ylsulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155860424
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
8-(3,5-dimethylphenyl)sulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155861400
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide (CID 131677276) is N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide is CN(C)C(=O)COCCC1CCOC12CCN(Cc1ccccn1)CC2.
What is the InChIKey of N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide?
The InChIKey is HDLUEJLPUOGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22(2)19(24)16-25-13-6-17-7-14-26-20(17)8-11-23(12-9-20)15-18-5-3-4-10-21-18/h3-5,10,17H,6-9,11-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide?
N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide is sourced from PubChem (CID 131677276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).